Structure of PDB 5ten Chain E Binding Site BS02

Receptor Information
>5ten Chain E (length=269) Species: 216895 (Vibrio vulnificus CMCP6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVRIAVAGAAGRMGRNLVKAAHHNPVAKVAAGSERPESSLVGVDLGELCG
EGKFDVVVCDDLAKQIDQFDVIIDFTAPASTLNNLALCQQYGKSIVIGTT
GFTEEQREQIDLVAQQVPVVMAPNYSVGVNLVFKLLEKAAKVMGDYCDIE
IVEAHHRHKVDAPSGTAIGMGEAIAGAMGNKLSDVAVYAREGITGERTKD
EIGFATIRAGDIVGEHTAMFADIGERVEITHKATDRMTFANGAVKAAVWL
HEKPAGFYTMTDVLGLNDL
Ligand information
Ligand ID7FN
InChIInChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyCHTHALBTIRVDBM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(oc1C(=O)O)C(=O)O
CACTVS 3.385OC(=O)c1oc(cc1)C(O)=O
ACDLabs 12.01OC(=O)c1ccc(o1)C(O)=O
FormulaC6 H4 O5
Name2,5 Furan Dicarboxylic Acid
ChEMBL
DrugBank
ZINCZINC000001672226
PDB chain5ten Chain E Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ten Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		T100 H155 H156 K159 G165 T166
Binding residue
(residue number reindexed from 1)		T100 H155 H156 K159 G165 T166
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H155 K159
Catalytic site (residue number reindexed from 1) H155 K159
Enzyme Commision number 1.17.1.8: 4-hydroxy-tetrahydrodipicolinate reductase.
Gene Ontology
Molecular Function
GO:0008839 4-hydroxy-tetrahydrodipicolinate reductase
GO:0016491 oxidoreductase activity
GO:0016726 oxidoreductase activity, acting on CH or CH2 groups, NAD or NADP as acceptor
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ten, PDBe:5ten, PDBj:5ten
PDBsum5ten
PubMed32980502
UniProtQ8DEM0|DAPB_VIBVU 4-hydroxy-tetrahydrodipicolinate reductase (Gene Name=dapB)

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